5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)quinolin-2-amine

C19H16ClF3N2O2 — CID 177288227

IUPAC5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)quinolin-2-amine
SMILESCOc1ccc(CNc2ccc3c(Cl)ccc(C(F)(F)F)c3n2)c(OC)c1
InChIInChI=1S/C19H16ClF3N2O2/c1-26-12-4-3-11(16(9-12)27-2)10-24-17-8-5-13-15(20)7-6-14(18(13)25-17)19(21,22)23/h3-9H,10H2,1-2H3,(H,24,25)
InChIKeyAJLHBWWBMKHLIU-UHFFFAOYSA-N
MW396.80 g/mol
LogP5.54
Rot. Bonds5

About 5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)quinolin-2-amine

5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)quinolin-2-amine (PubChem CID 177288227) has the molecular formula C19H16ClF3N2O2 and a molecular weight of 396.80 g/mol. Its IUPAC name is 5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)quinolin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)quinolin-2-amine
PubChem CID177288227
Molecular FormulaC19H16ClF3N2O2
Molecular Weight396.80 g/mol
Exact Mass396.09
IUPAC Name5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)quinolin-2-amine
SMILESCOc1ccc(CNc2ccc3c(Cl)ccc(C(F)(F)F)c3n2)c(OC)c1
InChIInChI=1S/C19H16ClF3N2O2/c1-26-12-4-3-11(16(9-12)27-2)10-24-17-8-5-13-15(20)7-6-14(18(13)25-17)19(21,22)23/h3-9H,10H2,1-2H3,(H,24,25)
InChIKeyAJLHBWWBMKHLIU-UHFFFAOYSA-N
XLogP5.54
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.80
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[5-chloro-4-methoxy-2-(trifluoromethyl)phenyl]-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine
CID 162682648
6-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 118510223
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
4-N-[(2,4-dimethoxyphenyl)methyl]-2-(fluoromethyl)pyrimidine-4,6-diamine
CID 169247534
2-chloro-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 118425010
N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 60966861
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine
CID 55189857
3-(1,1-difluoroethyl)-6-[(2,4-dimethoxyphenyl)methylamino]pyrazine-2-carbaldehyde
CID 178073128
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2-fluoroaniline
CID 43716456
4-N-[(2,4-dimethoxyphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80815552
4-N-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluoroethyl)pyrimidine-4,6-diamine
CID 170305614

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)quinolin-2-amine?
The IUPAC name of 5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)quinolin-2-amine (CID 177288227) is 5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)quinolin-2-amine.
What is the SMILES notation for 5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)quinolin-2-amine?
The canonical SMILES for 5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)quinolin-2-amine is COc1ccc(CNc2ccc3c(Cl)ccc(C(F)(F)F)c3n2)c(OC)c1.
What is the InChIKey of 5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)quinolin-2-amine?
The InChIKey is AJLHBWWBMKHLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N2O2/c1-26-12-4-3-11(16(9-12)27-2)10-24-17-8-5-13-15(20)7-6-14(18(13)25-17)19(21,22)23/h3-9H,10H2,1-2H3,(H,24,25).
What are the key properties of 5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)quinolin-2-amine?
5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)quinolin-2-amine has a molecular weight of 396.80 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-(trifluoromethyl)quinolin-2-amine is sourced from PubChem (CID 177288227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).